1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
|
"""
Exceptions for the general error types that can occur either while
setting up the calculator, which requires constructing KIM API C++
objects, or while running a simulation
"""
from ase.calculators.calculator import CalculatorError
class KIMCalculatorError(CalculatorError):
"""
Indicates an error occurred in initializing an applicable
calculator. This either results from incompatible combinations of
argument values passed to kim.KIM(), or from models that are
incompatible in some way with this calculator
"""
pass
class KIMModelNotFound(CalculatorError):
"""
Requested model cannot be found in any of the KIM API model
collections on the system
"""
pass
class KIMModelInitializationError(CalculatorError):
"""
KIM API Model object or ComputeArguments object could not be
successfully created
"""
pass
class KimpyError(CalculatorError):
"""
A call to a kimpy function resulted in a RuntimeError being raised
"""
pass
|
